ethyl 6-chloro-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazine-3-carboxylate

C13H12ClFN4O2 — CID 86689735

IUPACethyl 6-chloro-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazine-3-carboxylate
SMILESCCOC(=O)c1nnc(Cl)cc1Nc1ccc(F)c(C)n1
InChIInChI=1S/C13H12ClFN4O2/c1-3-21-13(20)12-9(6-10(14)18-19-12)17-11-5-4-8(15)7(2)16-11/h4-6H,3H2,1-2H3,(H,16,17,18)
InChIKeyMCNFSTDOXLRVIJ-UHFFFAOYSA-N
MW310.72 g/mol
LogP2.89
Rot. Bonds4

About ethyl 6-chloro-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazine-3-carboxylate

ethyl 6-chloro-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazine-3-carboxylate (PubChem CID 86689735) has the molecular formula C13H12ClFN4O2 and a molecular weight of 310.72 g/mol. Its IUPAC name is ethyl 6-chloro-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazine-3-carboxylate
PubChem CID86689735
Molecular FormulaC13H12ClFN4O2
Molecular Weight310.72 g/mol
Exact Mass310.06
IUPAC Nameethyl 6-chloro-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazine-3-carboxylate
SMILESCCOC(=O)c1nnc(Cl)cc1Nc1ccc(F)c(C)n1
InChIInChI=1S/C13H12ClFN4O2/c1-3-21-13(20)12-9(6-10(14)18-19-12)17-11-5-4-8(15)7(2)16-11/h4-6H,3H2,1-2H3,(H,16,17,18)
InChIKeyMCNFSTDOXLRVIJ-UHFFFAOYSA-N
XLogP2.89
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.72
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazine-3-carboxylate?
The IUPAC name of ethyl 6-chloro-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazine-3-carboxylate (CID 86689735) is ethyl 6-chloro-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazine-3-carboxylate.
What is the SMILES notation for ethyl 6-chloro-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazine-3-carboxylate?
The canonical SMILES for ethyl 6-chloro-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazine-3-carboxylate is CCOC(=O)c1nnc(Cl)cc1Nc1ccc(F)c(C)n1.
What is the InChIKey of ethyl 6-chloro-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazine-3-carboxylate?
The InChIKey is MCNFSTDOXLRVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN4O2/c1-3-21-13(20)12-9(6-10(14)18-19-12)17-11-5-4-8(15)7(2)16-11/h4-6H,3H2,1-2H3,(H,16,17,18).
What are the key properties of ethyl 6-chloro-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazine-3-carboxylate?
ethyl 6-chloro-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazine-3-carboxylate has a molecular weight of 310.72 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazine-3-carboxylate is sourced from PubChem (CID 86689735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).